4-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 4-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoic acid CAS Name: 4-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]benzoic acid Traditional Name: 4-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzoic acid Formula: C19H14N2O5 MolecularWeight: 350.32486

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H14N2O5/c1-2-9-21-17(23)14-8-5-12(10-15(14)18(21)24)16(22)20-13-6-3-11(4-7-13)19(25)26/h2-8,10H,1,9H2,(H,20,22)(H,25,26)